(E)-3-[2-bromanyl-5-methoxy-4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethoxy]phenyl]prop-2-enoate

Systemtic Name: (E)-3-[2-bromanyl-5-methoxy-4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethoxy]phenyl]prop-2-enoate Openeye Name: (E)-3-[4-[2-(benzylamino)-2-oxo-ethoxy]-2-bromo-5-methoxy-phenyl]prop-2-enoate CAS Name: (E)-3-[2-bromo-5-methoxy-4-[2-oxo-2-[(phenylmethyl)amino]ethoxy]phenyl]-2-propenoate IUPAC Name: (E)-3-[4-[2-(benzylamino)-2-oxoethoxy]-2-bromo-5-methoxyphenyl]prop-2-enoate Traditional Name: (E)-3-[4-[2-(benzylamino)-2-keto-ethoxy]-2-bromo-5-methoxy-phenyl]acrylate Formula: C19H17BrNO5- MolecularWeight: 419.24598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=CC(=O)[O-])Br)OCC(=O)NCC2=CC=CC=C2

Isomeric SMILES

COC1=C(C=C(C(=C1)/C=C/C(=O)[O-])Br)OCC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C19H18BrNO5/c1-25-16-9-14(7-8-19(23)24)15(20)10-17(16)26-12-18(22)21-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,21,22)(H,23,24)/p-1/b8-7+